5,6-Dihydroisoquinoline-5,6-diol
Basic information
- CAS
87707-13-9- Standard SMILES
OC1C=Cc2cnccc2C1O- InChIKey
BXXLJVSRWPGZRV-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 5,6-Dihydroisoquinoline-5,6-diol
- IUPAC
- 5,6-dihydroisoquinoline-5,6-diol
Names & synonyms
5,6-dihydroisoquinoline-5,6-diol87707-13-9DTXSID101007763
Database identifiers
- CAS
87707-13-9- PubChem CID
- 187633
- DTXSID
DTXSID101007763
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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